(3E)-Hexa-1,3,5-Triene
[CAS 2235-12-3]

Identification

• Name: (3E)-Hexa-1,3,5-Triene
• Synonyms: Hexa-1,3,5-Triene; Nsc91558; Wln: 1U2u2u1
• Molecular Formula: C₆H₈
• Molecular Weight: 80.13
• CAS Registry Number: 2235-12-3
• EINECS: 218-789-7
• SMILES: C(=C\C=C)/C=C
• InChI: 1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2/b6-5+
• InChIKey: AFVDZBIIBXWASR-AATRIKPKSA-N

Properties

• Density: 0.719g/cm³ (Cal.)
• Boiling point: 78.249°C at 760 mmHg (Cal.)
• Flash point: -15.045°C (Cal.)

References

• (1): Shinkoh Nanbu, Toshimasa Ishida and Hiroki Nakamura. Future perspectives of nonadiabatic chemical dynamics, Chem. Sci., 2010, 1, 663.